CID 170567788

C35H36BN2 — CID 170567788

IUPAC—
SMILESC[B]c1cc2c(cc1-c1ccc(-c3nc4ccccc4n3-c3ccccc3)cc1)C(C)(C)C(C)(C)C2(C)C
InChIInChI=1S/C35H36BN2/c1-33(2)27-21-26(29(36-7)22-28(27)34(3,4)35(33,5)6)23-17-19-24(20-18-23)32-37-30-15-11-12-16-31(30)38(32)25-13-9-8-10-14-25/h8-22H,1-7H3
InChIKeyCQVWJNVFFHJTQZ-UHFFFAOYSA-N
MW495.50 g/mol
LogP8.33
Rot. Bonds4

About CID 170567788

CID 170567788 (PubChem CID 170567788) has the molecular formula C35H36BN2 and a molecular weight of 495.50 g/mol.

Molecular Properties

Compound NameCID 170567788
PubChem CID170567788
Molecular FormulaC35H36BN2
Molecular Weight495.50 g/mol
Exact Mass495.30
IUPAC Name—
SMILESC[B]c1cc2c(cc1-c1ccc(-c3nc4ccccc4n3-c3ccccc3)cc1)C(C)(C)C(C)(C)C2(C)C
InChIInChI=1S/C35H36BN2/c1-33(2)27-21-26(29(36-7)22-28(27)34(3,4)35(33,5)6)23-17-19-24(20-18-23)32-37-30-15-11-12-16-31(30)38(32)25-13-9-8-10-14-25/h8-22H,1-7H3
InChIKeyCQVWJNVFFHJTQZ-UHFFFAOYSA-N
XLogP8.33
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.50
LogP ≤ 58.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

1-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole
CID 18629889
2-[4-(9,9-dimethyl-7-phenylfluoren-2-yl)phenyl]-1-phenylbenzimidazole
CID 143828986
2-[2,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole
CID 141061579
1-phenyl-2-[4-(5,5,10,10-tetramethyl-2-naphthalen-2-ylindeno[2,1-a]inden-7-yl)phenyl]benzimidazole
CID 90068469
2-[4-(1-methylnaphthalen-2-yl)phenyl]-1-phenylbenzimidazole
CID 135245229
2-[4-[4,6-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1-phenylbenzimidazole
CID 155186062
9,9-dimethyl-2-N,7-N-diphenyl-2-N,7-N-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]fluorene-2,7-diamine
CID 155473648
2-(5,5,6,6,7,7,8,8-octafluoronaphthalen-2-yl)-1-phenylbenzimidazole
CID 165383810
2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)-1-phenylbenzimidazole
CID 146495261
1-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylbenzimidazole
CID 143828968
2-(4-bromophenyl)-1-phenylbenzimidazole
CID 23094070
2-[4-(25,25-dimethyl-17-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaenyl)phenyl]-1-phenylbenzimidazole
CID 121431147

Frequently Asked Questions

What is the IUPAC name of CID 170567788?
The IUPAC name of CID 170567788 (CID 170567788) is not available.
What is the SMILES notation for CID 170567788?
The canonical SMILES for CID 170567788 is C[B]c1cc2c(cc1-c1ccc(-c3nc4ccccc4n3-c3ccccc3)cc1)C(C)(C)C(C)(C)C2(C)C.
What is the InChIKey of CID 170567788?
The InChIKey is CQVWJNVFFHJTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H36BN2/c1-33(2)27-21-26(29(36-7)22-28(27)34(3,4)35(33,5)6)23-17-19-24(20-18-23)32-37-30-15-11-12-16-31(30)38(32)25-13-9-8-10-14-25/h8-22H,1-7H3.
What are the key properties of CID 170567788?
CID 170567788 has a molecular weight of 495.50 g/mol, XLogP of 8.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 170567788 is sourced from PubChem (CID 170567788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).